SCHEMBL1743947

SCHEMBL1743947

Cc1nc(Cl)cc(OC(=O)Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.41
S1PR2 O95136 1/20 0.38
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GPR35 Q9HC97 1/20 0.32
KMO O15229 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27792580 0.85 KMT2A (0.47) KMT2AMAPTLMNACYP1A2CYP2C9
SCHEMBL9196209 0.85 KMT2A (0.47) KMT2AMAPTLMNACYP1A2CYP2C9
SCHEMBL3654232 0.80 S1PR2 (0.41) KMT2AMAPTLMNACYP1A2CYP2C9
SCHEMBL9196580 0.76 ALDH1A1 (0.50) KMT2AMAPTLMNACYP1A2CYP2C9
SCHEMBL30318701 0.75 PDE2A (0.52) KMT2AMAPTLMNACYP1A2ALDH1A1
SCHEMBL10241852 0.75 PDE2A (0.52) KMT2AMAPTLMNACYP1A2ALDH1A1
SCHEMBL11344361 0.75 LMNA (0.49) KMT2AMAPTLMNAS1PR2ALDH1A1
SCHEMBL8389479 0.73 S1PR2 (0.35) MAPTS1PR2ALDH1A1
SCHEMBL2928544 0.73 S1PR2 (0.45) KMT2AMAPTLMNAS1PR2ALDH1A1
SCHEMBL985142 0.72 KMO (0.39) KMT2AMAPTLMNACYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386558-B1 CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2014-10-01 EP disclosed
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
EP-2205599-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-06-06 EP disclosed
EP-2386558-A1 CGRP antagonists Boehringer Ingelheim International GmbH (DE) 2011-11-16 EP disclosed
US-20110253722-A1 METHOD AND SYSTEM FOR WATERPROOFING A MOBILE DEVICE TOMORROW'S INNOVATIONS (US) 2011-10-20 US disclosed
EP-0497851-B1 SULPHONATED HETEROCYCLIC CARBOXAMIDES AS HERBICIDES, GROWTH REGULATORS OR FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-01-04 EP disclosed
EP-0497851-A1 SULPHONATED HETEROCYCLIC CARBOXAMIDES AS HERBICIDES, GROWTH REGULATORS OR FUNGICIDES. HOECHST AG (DE) 1992-08-12 EP disclosed
WO-1991006541-A1 SULPHONATED HETEROCYCLIC CARBOXAMIDES AS HERBICIDES, GROWTH REGULATORS OR FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-16 WO disclosed